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	hartrees
Energy at 0K	-63.226681
Energy at 298.15K
HF Energy	-63.078840
Nuclear repulsion energy	40.120081

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3136	3020	13.21	121.92	0.08	0.14
2	A'	1436	1383	1.28	18.03	0.66	0.79
3	A'	1256	1210	71.47	0.74	0.73	0.85
4	A'	596	574	45.57	12.59	0.70	0.82
5	A'	496	478	1.52	19.26	0.22	0.36
6	A'	143	137	0.03	9.57	0.58	0.73
7	A"	3239	3120	1.75	64.95	0.75	0.86
8	A"	1129	1087	0.01	14.64	0.75	0.86
9	A"	789	760	14.12	10.62	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	1.109	0.000
Br2	1.982	0.699	0.000
I3	-1.301	-0.651	0.000
H4	-0.211	1.685	0.908
H5	-0.211	1.685	-0.908

	C1	Br2	I3	H4	H5
C1		2.0243	2.1884	1.0955	1.0955
Br2	2.0243		3.5502	2.5700	2.5700
I3	2.1884	3.5502		2.7329	2.7329
H4	1.0955	2.5700	2.7329		1.8156
H5	1.0955	2.5700	2.7329	1.8156

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
Br2	C1	I3	114.803	Br2	C1	H4	107.136
Br2	C1	H5	107.136	I3	C1	H4	107.968
I3	C1	H5	107.968	H4	C1	H5	111.915

All results from a given calculation for CH₂BrI (bromoiodomethane)

using model chemistry: MP2/LANL2DZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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All results from a given calculation for CH2BrI (bromoiodomethane)

using model chemistry: MP2/LANL2DZ

States and conformations

All results from a given calculation for CH₂BrI (bromoiodomethane)